2-(hexylamino)-1-phenylethanone

C14H21NO — CID 82101185

IUPAC2-(hexylamino)-1-phenylethanone
SMILESCCCCCCNCC(=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-4-8-11-15-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,15H,2-4,8,11-12H2,1H3
InChIKeyLMBQSODLPMEXLB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds8

About 2-(hexylamino)-1-phenylethanone

2-(hexylamino)-1-phenylethanone (PubChem CID 82101185) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(hexylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(hexylamino)-1-phenylethanone
PubChem CID82101185
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(hexylamino)-1-phenylethanone
SMILESCCCCCCNCC(=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-4-8-11-15-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,15H,2-4,8,11-12H2,1H3
InChIKeyLMBQSODLPMEXLB-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
1-phenylheptadecan-1-one
CID 577626
(2R)-2-methyl-5-(phenacylamino)pentanoic acid
CID 118133420
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524
1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
CID 82102192
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-1-phenylethanone?
The IUPAC name of 2-(hexylamino)-1-phenylethanone (CID 82101185) is 2-(hexylamino)-1-phenylethanone.
What is the SMILES notation for 2-(hexylamino)-1-phenylethanone?
The canonical SMILES for 2-(hexylamino)-1-phenylethanone is CCCCCCNCC(=O)c1ccccc1.
What is the InChIKey of 2-(hexylamino)-1-phenylethanone?
The InChIKey is LMBQSODLPMEXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-8-11-15-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,15H,2-4,8,11-12H2,1H3.
What are the key properties of 2-(hexylamino)-1-phenylethanone?
2-(hexylamino)-1-phenylethanone has a molecular weight of 219.33 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-1-phenylethanone is sourced from PubChem (CID 82101185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).